Geometry & MOs

Info

ID:	57222
PubChem CID:	22395501
Reduced:	NP2O9C10H19 (1)
Stoich.:	AB2C9D10E19 (1)
Weight, g/mol:	218.024895
ΔH_f, kcal/mol:	-512.11
Dipole, Da:	8.51
IP(EA), eV:	-10.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxybenzenesulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CC(C(NC(=O)C)P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations